| SpectraBase Spectrum ID |
4yrs7T5RFHX |
| Name |
Pyrimidine-4,6-dione, hexahydro-5-[2-(2-phenoxyethoxy)benzylidene]-2-thioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.083078173 u |
| Formula |
C19H16N2O4S |
| InChI |
InChI=1S/C19H16N2O4S/c22-17-15(18(23)21-19(26)20-17)12-13-6-4-5-9-16(13)25-11-10-24-14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H2,20,21,22,23,26) |
| InChIKey |
ZJUYJKMQXGLWCC-UHFFFAOYSA-N |
| Molecular Weight |
368.407 g/mol |
| SMILES |
C1(C(NC(NC1=O)=S)=O)=CC1=C(OCCOC2=CC=CC=C2)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843391 |
![Pyrimidine-4,6-dione, hexahydro-5-[2-(2-phenoxyethoxy)benzylidene]-2-thioxo-](/api/spectrum/4yrs7T5RFHX/structure.png?h=300&w=458 "Pyrimidine-4,6-dione, hexahydro-5-[2-(2-phenoxyethoxy)benzylidene]-2-thioxo-")
